1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane

C12H21F6NS — CID 174970526

IUPAC1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
SMILESCCCCN1CCCCC1C.FC(F)(F)SC(F)(F)F
InChIInChI=1S/C10H21N.C2F6S/c1-3-4-8-11-9-6-5-7-10(11)2;3-1(4,5)9-2(6,7)8/h10H,3-9H2,1-2H3;
InChIKeyNRRGPTFIYIACNC-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.42
Rot. Bonds3

About 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane

1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane (PubChem CID 174970526) has the molecular formula C12H21F6NS and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane.

Molecular Properties

Compound Name1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
PubChem CID174970526
Molecular FormulaC12H21F6NS
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
SMILESCCCCN1CCCCC1C.FC(F)(F)SC(F)(F)F
InChIInChI=1S/C10H21N.C2F6S/c1-3-4-8-11-9-6-5-7-10(11)2;3-1(4,5)9-2(6,7)8/h10H,3-9H2,1-2H3;
InChIKeyNRRGPTFIYIACNC-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-pentylazepane
CID 134994557
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne
CID 167639028
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
CID 174654202
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
1-butyl-2-tert-butylpiperidine
CID 58060832
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
CID 23545715
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
(1-butylazepan-2-yl)methanamine
CID 116640391

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane?
The IUPAC name of 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane (CID 174970526) is 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane.
What is the SMILES notation for 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane?
The canonical SMILES for 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane is CCCCN1CCCCC1C.FC(F)(F)SC(F)(F)F.
What is the InChIKey of 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane?
The InChIKey is NRRGPTFIYIACNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2F6S/c1-3-4-8-11-9-6-5-7-10(11)2;3-1(4,5)9-2(6,7)8/h10H,3-9H2,1-2H3;.
What are the key properties of 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane?
1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane has a molecular weight of 325.36 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane is sourced from PubChem (CID 174970526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).